ChemSpider 2D Image | (3beta,22E)-Ergosta-5,22-diene-3,12-diol | C28H46O2

(3β,22E)-Ergosta-5,22-diene-3,12-diol

  • Molecular FormulaC28H46O2
  • Average mass414.664 Da
  • Monoisotopic mass414.349792 Da
  • ChemSpider ID29366420

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,22E)-Ergosta-5,22-dien-3,12-diol [German] [ACD/IUPAC Name]
(3β,22E)-Ergosta-5,22-diene-3,12-diol [ACD/IUPAC Name]
(3β,22E)-Ergosta-5,22-diène-3,12-diol [French] [ACD/IUPAC Name]
Ergosta-5,22-diene-3,12-diol, (3β,22E)- [ACD/Index Name]
(3S,8R,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
12-Hydroxy-7,8-dihydroergosterol
54573-77-2 [RN]
MFCD07368393

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 520.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 91.3±6.0 kJ/mol
    Flash Point: 215.0±24.7 °C
    Index of Refraction: 1.544
    Molar Refractivity: 126.0±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 7.64
    ACD/LogD (pH 5.5): 6.60
    ACD/BCF (pH 5.5): 61552.62
    ACD/KOC (pH 5.5): 93266.08
    ACD/LogD (pH 7.4): 6.60
    ACD/BCF (pH 7.4): 61552.62
    ACD/KOC (pH 7.4): 93266.08
    Polar Surface Area: 40 Å2
    Polarizability: 50.0±0.5 10-24cm3
    Surface Tension: 41.5±5.0 dyne/cm
    Molar Volume: 399.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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